Geometry & MOs

Info

ID:	393510
PubChem CID:	135020875
Reduced:	NC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	55.48
Dipole, Da:	3.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.082427
Charge, e:	0

Chem-info

IUPAC name:

7-azido-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid

Drug info:

PubChemData

Smile

C=CC1C[N+]2(CCC1CC2)CC3=CC=CC=C3

DOS

IR

Vibrations